70 |
|
TEMPERATURE, |
71 |
|
PRESSURE, |
72 |
|
VOLUME, |
73 |
+ |
HULLVOLUME, |
74 |
+ |
GYRVOLUME, |
75 |
|
CONSERVED_QUANTITY, |
76 |
|
TRANSLATIONAL_KINETIC, |
77 |
|
ROTATIONAL_KINETIC, |
82 |
|
BOND_POTENTIAL, |
83 |
|
BEND_POTENTIAL, |
84 |
|
DIHEDRAL_POTENTIAL, |
85 |
< |
IMPROPER_POTENTIAL, |
85 |
> |
INVERSION_POTENTIAL, |
86 |
|
VRAW, |
87 |
|
VHARM, |
88 |
< |
PRESSURE_TENSOR_X, |
89 |
< |
PRESSURE_TENSOR_Y, |
90 |
< |
PRESSURE_TENSOR_Z, |
88 |
> |
PRESSURE_TENSOR_XX, |
89 |
> |
PRESSURE_TENSOR_XY, |
90 |
> |
PRESSURE_TENSOR_XZ, |
91 |
> |
PRESSURE_TENSOR_YX, |
92 |
> |
PRESSURE_TENSOR_YY, |
93 |
> |
PRESSURE_TENSOR_YZ, |
94 |
> |
PRESSURE_TENSOR_ZX, |
95 |
> |
PRESSURE_TENSOR_ZY, |
96 |
> |
PRESSURE_TENSOR_ZZ, |
97 |
> |
BOX_DIPOLE_X, |
98 |
> |
BOX_DIPOLE_Y, |
99 |
> |
BOX_DIPOLE_Z, |
100 |
|
ENDINDEX //internal use |
101 |
|
}; |
102 |
|
|
103 |
|
Stats(); |
104 |
< |
const double& operator [](int index) const { |
104 |
> |
const RealType& operator [](int index) const { |
105 |
|
assert(index >=0 && index < ENDINDEX); |
106 |
|
return data_[index]; |
107 |
|
} |
108 |
|
|
109 |
< |
double& operator [](int index){ |
109 |
> |
RealType& operator [](int index){ |
110 |
|
assert(index >=0 && index < ENDINDEX); |
111 |
|
return data_[index]; |
112 |
|
} |
135 |
|
private: |
136 |
|
static void init(); |
137 |
|
static bool isInit_; |
138 |
< |
double data_[ENDINDEX - BEGININDEX]; |
138 |
> |
RealType data_[ENDINDEX - BEGININDEX]; |
139 |
|
static std::string title_[ENDINDEX - BEGININDEX]; |
140 |
|
static std::string units_[ENDINDEX - BEGININDEX]; |
141 |
|
Mat3x3d tau_; |